1-(fluoromethyl)-4-propan-2-yltriazole

C6H10FN3 — CID 58384190

IUPAC1-(fluoromethyl)-4-propan-2-yltriazole
SMILESCC(C)c1cn(CF)nn1
InChIInChI=1S/C6H10FN3/c1-5(2)6-3-10(4-7)9-8-6/h3,5H,4H2,1-2H3
InChIKeyXRBRLFUVMCQSOF-UHFFFAOYSA-N
MW143.16 g/mol
LogP1.33
Rot. Bonds2

About 1-(fluoromethyl)-4-propan-2-yltriazole

1-(fluoromethyl)-4-propan-2-yltriazole (PubChem CID 58384190) has the molecular formula C6H10FN3 and a molecular weight of 143.16 g/mol. Its IUPAC name is 1-(fluoromethyl)-4-propan-2-yltriazole.

Molecular Properties

Compound Name1-(fluoromethyl)-4-propan-2-yltriazole
PubChem CID58384190
Molecular FormulaC6H10FN3
Molecular Weight143.16 g/mol
Exact Mass143.09
IUPAC Name1-(fluoromethyl)-4-propan-2-yltriazole
SMILESCC(C)c1cn(CF)nn1
InChIInChI=1S/C6H10FN3/c1-5(2)6-3-10(4-7)9-8-6/h3,5H,4H2,1-2H3
InChIKeyXRBRLFUVMCQSOF-UHFFFAOYSA-N
XLogP1.33
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methyl-1H-1,2,3-triazol-4-yl)ethan-1-amine
CID 62757243
2-(1-methyl-1H-1,2,3-triazol-4-yl)acetonitrile
CID 68122379
4-Ethyl-1-(2-fluoroethyl)triazole
CID 58251782
1,4-Dimethyl-1H-1,2,3-triazole
CID 15257142
4-(2-bromoethyl)-1-methyl-1H-1,2,3-triazole
CID 62395848
4-(2-chloroethyl)-1-methyl-1H-1,2,3-triazole
CID 62401426
1,4-Diethyltriazole
CID 19779068
1,4-Di(propan-2-yl)triazole
CID 21054920
4-Ethyl-1-methyltriazole
CID 59050128
4-Tert-butyl-1-prop-2-enyltriazole
CID 85961759
1-(2-Fluoroethyl)-4-methyltriazole
CID 58251824
1-(2-Fluoroethyl)-4-propan-2-yltriazole
CID 58384186

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-4-propan-2-yltriazole?
The IUPAC name of 1-(fluoromethyl)-4-propan-2-yltriazole (CID 58384190) is 1-(fluoromethyl)-4-propan-2-yltriazole.
What is the SMILES notation for 1-(fluoromethyl)-4-propan-2-yltriazole?
The canonical SMILES for 1-(fluoromethyl)-4-propan-2-yltriazole is CC(C)c1cn(CF)nn1.
What is the InChIKey of 1-(fluoromethyl)-4-propan-2-yltriazole?
The InChIKey is XRBRLFUVMCQSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3/c1-5(2)6-3-10(4-7)9-8-6/h3,5H,4H2,1-2H3.
What are the key properties of 1-(fluoromethyl)-4-propan-2-yltriazole?
1-(fluoromethyl)-4-propan-2-yltriazole has a molecular weight of 143.16 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-4-propan-2-yltriazole is sourced from PubChem (CID 58384190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).